Cas no 59949-61-0 (2,2':5',2''-Terthiophene,5,5''-dimethyl-)
59949-61-0 structure
Product Name:2,2':5',2''-Terthiophene,5,5''-dimethyl-
CAS No:59949-61-0
MF:C14H12S3
MW:276.440079689026
CID:386245
PubChem ID:181247
Update Time:2025-04-19
2,2':5',2''-Terthiophene,5,5''-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,2':5',2''-Terthiophene,5,5''-dimethyl-
- 2,5-bis(5-methylthiophen-2-yl)thiophene
- 1~5~,3~5~-Dimethyl-1~2~,2~2~:2~5~,3~2~-terthiophene
- 5,5''-Dimethyl-alpha-terthienyl
- DTXSID40975369
- 2,2':5',2''-Terthiophene, 5,5''-dimethyl-
- SCHEMBL120939
- 59949-61-0
-
- Inchi： 1S/C14H12S3/c1-9-3-5-11(15-9)13-7-8-14(17-13)12-6-4-10(2)16-12/h3-8H,1-2H3
- InChI Key： UCLXUPRIAJUZED-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1C1=CC=C(C)S1)C1=CC=C(C)S1
Computed Properties
- Exact Mass: 276.01026
- Monoisotopic Mass: 276.01011390g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 0
2,2':5',2''-Terthiophene,5,5''-dimethyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
59949-61-0 (2,2':5',2''-Terthiophene,5,5''-dimethyl-) Related Products
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- 1081-34-1(2,2':5',2''-Terthiophene)
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